pentyl 4-methylbenzoate

Systemtic Name: pentyl 4-methylbenzoate Openeye Name: pentyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid pentyl ester IUPAC Name: pentyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid amyl ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H18O2/c1-3-4-5-10-15-13(14)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3